ChemDB: Chemical Search
Download
Chemical ID: 5401950
Chemical ID:
5401950
Name [?]:
(4-methoxycarbonylphenyl)methyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H18O6/c1-21-15-8-14(9-16(10-15)22-2)18(20)24-11-12-4-6-13(7-5-12)17(19)23-3/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,24,16,20,17,19,4,6,8,14,15,18,5,3,7,21,11,22,12,2,9,23,13/E:(1,2)(4,5)(6,7)(8,9)(15,16)(21,22)/rA:24nCOCCCCCCOCCOOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7665 |
Area: | 562.301 |
Solvation: | -5.29104 |
Coulombic: | -54.1674 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 330.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.41 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|